Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...

The world's most powerful supercomputer has raised the bar for calculating the number of atoms in a molecular dynamics simulation 1,000 times greater in size and speed than any previous simulation of ...

The 2024 Gordon Bell Prize goes to researchers led by the University of Melbourne for using the Frontier supercomputer to conduct a quantum molecular dynamics simulation 1,000 times greater in size ...

Ritwik is a passionate gamer who has a soft spot for JRPGs. He's been writing about all things gaming for six years and counting. Simulation games are a blast to play through for players who love ...

OTI Lumionics, a leader in advanced quantum simulations and solutions for next-generation materials discovery, announces the publication of its scientific paper, “Optimization of the Qubit Coupled ...